(Q105168464)

English

2-(3,4-dihydroxyphenyl)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-(3,4-Dihydroxyphenyl)-3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

772.2062083 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Quercetin 3-O-beta-D-2-glucosyl-rutinoside

1 reference

based on heuristic

inferred from InChI

2-(3,4-dihydroxyphenyl)-3-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₂₁

0 references

canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OC(CO)C(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

0 references

isomeric SMILES

C[C@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

0 references

Thevetia peruviana

1 reference

Flavanone and flavonol glycosides from the leaves of Thevetia peruviana and their HIV-1 reverse transcriptase and HIV-1 integrase inhibitory activities

Cascabela thevetia

1 reference

Flavanone and flavonol glycosides from the leaves of Thevetia peruviana and their HIV-1 reverse transcriptase and HIV-1 integrase inhibitory activities

Identifiers

InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17+,19+,20-,21+,23-,24+,25+,26+,27-,30+,31-,32+,33+/m1/s1

0 references

MNMUPTOJETVJCW-XBASOLEGSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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